s-net: sqc1995
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| Systre crystallographic geometry file (.cgd) |
Links to this net in other databases
| topcryst |
Topological data
| Vertices per primitive translational unit | 8 |
| Edges per primitive translational unit | 16 |
| Transitivity (vertex,edge) | (3,5) |
| Vertex degrees | {3,7,3} |
| Vertex coordination sequence | [(3, 13, 30, 50, 88, 134, 170, 220, 292, 358), (7, 15, 30, 63, 95, 122, 175, 239, 286, 351), (3, 13, 32, 51, 85, 134, 173, 219, 290, 359)] |
| Wells’ vertex symbol | [4.6^2, 4^3.6^10.8^8, 4.6^2] |
| Systre key | (3, 1, 2, 0, 0, 0, 1, 2, 1, 0, 0, 1, 3, 0, 0, 0, 1, 4, 0, 0, 0, 1, 4, 1, 0, 0, 1, 5, 0, 0, 0, 1, 6, 0, 0, 0, 2, 4, 0, 1, 0, 3, 5, 0, 1, 0, 3, 6, 0, 0, 1, 5, 6, 0, 0, 1, 6, 7, 0, 0, 0, 6, 7, 1, 0, 0, 6, 8, 0, 0, 0, 6, 8, 1, 0, 0, 7, 8, 0, 1, 0) |
Geometric data
Systre equilibrium placement (barycentric embedding) maximising unit cell volume
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 1.91223 | 3.31155 | 1.65689 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.25 | 0.25 | 0 |
| 0 | 0.25 | 0.5 |
| 0.25 | 0 | 0.5 |
Edge end points:
Systre coordinates favouring equal edge-lengths
Spacegroup: Pmmm
Parameters:
| a | b | c | alpha | beta | gamma |
|---|---|---|---|---|---|
| 1.96041 | 2.75438 | 1.75429 | 90.0 | 90.0 | 90.0 |
Vertex positions:
| X-pos | Y-pos | Z-pos |
|---|---|---|
| 0.24496 | 0.31875 | 0 |
| 0 | 0.31846 | 0.5 |
| 0.24496 | 0 | 0.5 |
Edge end points:
